본문 바로가기
KERD
논문KCI 등재

Effects of neutron irradiation on densities and elastic properties of aggregate-forming minerals in concrete

Liu Hui|Zhou Yong|Zhang Weiping|Liao Kaixing|Huang Ying
한국원자력학회 (Korean Nuclear Society)|2023.06|Nuclear Engineering and Technology|제55권 제6호|pp. 2147-2157|DOI 10.1016/j.net.2023.03.021

2

조회

0

다운로드

1

인용

0

참고문헌

키워드

ConcreteSwellingMolecular dynamicsRadiation damageAggregate-forming minerals
주제분류원자력공학

초록

The aggregate-forming minerals in concrete undergo volume swelling and microstructure change under neutron irradiation, leading to degradation of physical and mechanical properties of the aggregates and concrete. A comprehensive investigation of volume change and elastic property variation of major aggregate-forming minerals is still lacking, so molecular dynamics simulations have been employed in this paper to improve the understanding of the degradation mechanisms. The results demonstrated that the densities of the selected aggregate-forming minerals of similar atomic structure and chemical composition vary in a similar trend with deposited energy due to the similar amorphization mechanism. The elastic tensors of all silicate minerals are almost isotropic after saturated irradiation, while those of irradiated carbonate minerals remain anisotropic. Moreover, the elastic modulus ratio versus density ratio of irradiated minerals is roughly following the densityemodulus scaling relationship. These findings could further provide basis for predicting the volume and elastic properties of irradiated concrete aggregates in nuclear facilities.

Abstract

The aggregate-forming minerals in concrete undergo volume swelling and microstructure change under neutron irradiation, leading to degradation of physical and mechanical properties of the aggregates and concrete. A comprehensive investigation of volume change and elastic property variation of major aggregate-forming minerals is still lacking, so molecular dynamics simulations have been employed in this paper to improve the understanding of the degradation mechanisms. The results demonstrated that the densities of the selected aggregate-forming minerals of similar atomic structure and chemical composition vary in a similar trend with deposited energy due to the similar amorphization mechanism. The elastic tensors of all silicate minerals are almost isotropic after saturated irradiation, while those of irradiated carbonate minerals remain anisotropic. Moreover, the elastic modulus ratio versus density ratio of irradiated minerals is roughly following the densityemodulus scaling relationship. These findings could further provide basis for predicting the volume and elastic properties of irradiated concrete aggregates in nuclear facilities.

참고문헌 (66)

  1. K. G. Field, "Radiation effects in concrete for nuclear power plants-Part I : quantification of radiation exposure and radiation effects", Nucl. Eng. Des, 282, pp.126~143 (2015)
  2. Y. Le Pape, "Radiation effects in concrete for nuclear power plants, Part II: perspective from micromechanical modeling", Nucl. Eng. Des, 282, pp.144~157 (2015)
  3. Y. Le Pape, "Structural effects of radiation-induced volumetric expansion on unreinforced concrete biological shields", Nucl. Eng. Des, 295, pp.534~548 (2015)
  4. M.L.D. Gougar, "Ettringite and CSH Portland cement phases for waste ion immobilization: A review", Waste Management, 16(4), pp.295~303 (1996), Elsevier BV[DOI]
  5. H. Hilsdorf, "The effects of nuclear radiation on the mechanical properties of concrete", SP (Sci. Prog.), 55, pp.223~254 (1978)
  6. I. Maruyama, "Development of soundness assessment procedure for concrete members affected by neutron and gamma-ray irradiation", J. Adv. Concr. Technol, 15, pp.440~523 (2017)
  7. A. Denisov, "Radiation Resistance of Mineral and Polymer Construction Materials" (2012), ZAO MEI Publ
  8. Y. Le Pape, "Rock-forming minerals radiation-induced volumetric expansion-revisiting literature data", J. Adv. Concr. Technol, 16, pp.191~209 (2018)
  9. Chinthaka M. Silva, "Radiation-Induced Changes in Single Crystal Calcite and Dolomite: Mineral Analogues of Light Water Reactor, Nuclear Power Plant Concrete Aggregates", The Journal of Physical Chemistry C, 126(1), pp.634~646 (2022), American Chemical Society (ACS)[DOI]
  10. Y. Le Pape, "Combined effects of temperature and irradiation on concrete damage", J. Adv. Concr. Technol, 14, pp.70~86 (2016)
  11. T. M. Rosseel, "Review of the current state of knowledge on the effects of radiation on concrete", J. Adv. Concr. Technol, 14, pp.368~383 (2016)
  12. Y. Le Pape, "Irradiation-induced damage in concreteforming aggregates : revisiting literature data through micromechanics", Mater. Struct, 53, pp.62~ (2020)
  13. W. Primak, "Fast-neutron-induced changes in quartz and vitreous silica", Phys. Rev, 110, pp.1240~1254 (1958)
  14. B. Wang, "Irradiation-induced topological transition in SiO2 : structural signature of networks' rigidity", J. Non-Cryst. Solids, 463, pp.25~30 (2017)
  15. T. M. Rosseel, "The effects of neutron irradiation on the mechanical properties of mineral analogues of concrete aggregates", Proc. 18th. Int. Conf. Environmental Degradation Mater. Nucl. Power Syst.-Water React, pp.151~161 (2018), Springer
  16. C. M. Silva, "Radiation-induced changes in quartz, a mineral analog of nuclear power plant concrete aggregates", Inorg. Chem, 57, pp.3329~3338 (2018)
  17. N. Okada, "Characterization of irradiation-induced novel voids in a-quartz", AIP Adv, 10, pp.125212~ (2020)
  18. V. N. Bykov, "Effect of irradiation temperature on the radiation expansion of quartz", At. Energy, 51, pp.593~595 (1981)
  19. N. M. A. Krishnan, "Effect of irradiation on silicate aggregates' density and stiffness", J. Nucl. Mater, 512, pp.126~136 (2018)
  20. S. Zhou, "The damage and healing of quartz under radiation at high temperatures", Int. J. Damage Mech, 29, pp.923~942 (2020)
  21. N. M. A. Krishnan, "Disorder-induced expansion of silicate minerals arises from the breakage of weak topological constraints", J. Non-Cryst. Solids, 564, pp.120846~ (2021)
  22. Y. -H. Hsiao, "The effect of irradiation on the atomic structure and chemical durability of calcite and dolomite", Npj Mater. Degrad, 3, pp.10~ (2019)
  23. L. Levien, "Structure and elastic properties of quartz at pressure", Am. Mineral, 65, pp.920~930 (1980)
  24. T. Armbruster, "Variation of displacement parameters in structure refinements of low albite", Am. Mineral, 75, pp.135~140 (1990)
  25. R. J. Angel, "High-pressure structure of anorthite", Am. Mineral, 73, pp.1114~1119 (1988)
  26. D.R. Allan, "A high-pressure structural study of microcline (KAl-Si3O8) to 7 GPa", Eur. J. Mineral, pp.263~276 (1997)
  27. K. Tomita, "Crystal structure of dehydroxylated 2m1sericite and its relationship with mixed-layer mica", smectite, 1998, pp.10, 423~441
  28. P. F. Zanazzi, "Structural effects of pressure on triclinic chlorite : a single-crystal study", Am. Mineral, 91, pp.1871~1878 (2006)
  29. S. A. Markgraf, "High-temperature structure refinements of calcite and magnesite", Am. Mineral, 70, pp.590~600 (1985)
  30. R. J. Reeder, "High-temperature crystal chemistry of dolomite", Am. Mineral, 71, pp.795~804 (1986)
  31. R. K. Eby, "The amorphization of complex silicates by ion-beam irradiation", J. Mater. Res, 7, pp.3080~3102 (1992)
  32. Maarten A.T.M. Broekmans, "Structural properties of quartz and their potential role for ASR", Materials Characterization, 53(2-4), pp.129~140 (2004), Elsevier BV[DOI]
  33. M.E. Fleet, "Rock-forming Minerals, ume 3A, Micas" (2003), Geological Soc. Publishing House
  34. Randall T. Cygan, "Advances in Clayff Molecular Simulation of Layered and Nanoporous Materials and Their Aqueous Interfaces", The Journal of Physical Chemistry C, 125(32), pp.17573~17589 (2021), American Chemical Society (ACS)[DOI]
  35. S. Plimpton, "Fast parallel algorithms for short-range molecular dynamics", J. Comput. Phys, 117, pp.1~19 (1995)
  36. N. M. A. Krishnan, "Revealing the effect of irradiation on cement hydrates : evidence of a topological self-organization", ACS Appl. Mater. Interfaces, 9, pp.32377~32385 (2017)
  37. Y. -H. Hsiao, "Effects of irradiation on albite's chemical durability", J. Phys. Chem. A, 121, pp.7835~7845 (2017)
  38. Y. -H. Hsiao, "Role of electrochemical surface potential and irradiation on garnet-type almandine's dissolution kinetics", J. Phys. Chem. C, 122, pp.17268~17277 (2018)
  39. N. M. A. Krishnan, "Enthalpy landscape dictates the irradiation-induced disordering of quartz", Phys. Rev. X, 7, pp.031019~ (2017)
  40. N. M. A. Krishnan, "Irradiation-vs. vitrification-induced disordering : the case of a-quartz and glassy silica", J. Chem. Phys, 146, pp.204502~ (2017)
  41. H. J. C. Berendsen, "Molecular dynamics with coupling to an external bath", J. Chem. Phys, 81, pp.3684~3690 (1984)
  42. A. C. T. van Duin, "Reaxff : a reactive force field for hydrocarbons", J. Phys. Chem. A, 105, pp.9396~9409 (2001)
  43. J. Du, "Challenges in Molecular Dynamics Simulations of Multicomponent Oxide Glasses" (2015), Springer Int. Publishing
  44. R. T. Cygan, "Molecular models of hydroxide, oxyhydroxide, and clay phases and the development of a general force field", J. Phys. Chem. B, 108, pp.1255~1266 (2004)
  45. K. Trachenko, "Understanding resistance to amorphization by radiation damage", J. Phys. Condens. Matter, 16, pp.R1491~R1515 (2004)
  46. N. M. A. Krishnan, "Irradiation-driven amorphous-to-glassy transition in quartz : the crucial role of the mediumrange order in crystallization", Phys. Rev. Mater, 1, pp.053405~ (2017)
  47. Y. Yu, "Reactive molecular dynamics simulations of sodium silicate glassesdtoward an improved understanding of the structure", Int. J. Appl. Glass Sci, 8, pp.276~284 (2017)
  48. N. M. A. Krishnan, "Densityestiffness scaling in minerals upon disordering : irradiation vs. vitrification", Acta Mater, 166, pp.611~617 (2019)
  49. J.F. Ziegler, "Treatise on Heavy-Ion Science", pp.93~129 (1985), Springer US
  50. D. Hou, "Molecular dynamics study of water and ions transport in nanopore of layered structure : a case study of tobermorite", Microporous Mesoporous Mater, 195, pp.9~20 (2014)
  51. D. Hou, "Molecular dynamics study of water and ions transported during the nanopore calcium silicate phase : case study of jennite", J. Mater. Civ. Eng, 26, pp.930~940 (2014)
  52. D. Ebrahimi, "Nanoscale elastic properties of montmorillonite upon water adsorption", Langmuir, 28, pp.16855~16863 (2012)
  53. P. Raiteri, "Derivation of an accurate forcefield for simulating the growth of calcium carbonate from aqueous solution:a new model for the calcitewater interface", J. Phys. Chem. C, 114, pp.5997~6010 (2010)
  54. P. Raiteri, "Thermodynamically consistent force field for molecular dynamics simulations of alkaline-earth carbonates and their aqueous speciation", J. Phys. Chem. C, 119, pp.24447~24458 (2015)
  55. A. K. Varshneya, "Fundamentals of Inorganic Glasses" (2013), Elsevier
  56. V.G. Zubov, "Elasticity of quartz irradiated with fast neutrons", Sov. Phys.-Cryst. (Engl. Transl.), 12, pp.313~314 (1967)
  57. I. Maruyama, "Change in relative density of natural rock minerals due to electron irradiation", J. Adv. Concr. Technol, 14, pp.706~716 (2016)
  58. H. Nagabhushana, "Damage creation in swift heavy ionirradiated calcite single crystals: Raman and Infrared study", Spectrochim. Acta, Part A, 71, pp.1070~1073 (2008)
  59. M. Wencka, "Dynamics of CO2-radiation defects in natural calcite studied by ESR, electron spin echo and electron spin relaxation", J. Phys. Condens. Matter, 20, pp.255237~ (2008)
  60. R. Hill, "The elastic behaviour of a crystalline aggregate", Proc. Phys. Soc. A, 65, pp.349~354 (1952)
  61. V. N. Luu, "Changes in properties of alphaquartz and feldspars under 3 MeV Si-ion irradiation", J. Nucl. Mater, 545, pp.152734~ (2021)
  62. L. W. Hobbs, "The role of topology and geometry in the irradiation-induced amorphization of network structures", J. Non-Cryst. Solids, 182, pp.27~39 (1995)
  63. D. W. Hobbs, "Influence of aggregate restraint on the shrinkage of concrete", J, 71, pp.445~450 (1974)
  64. M. Bauchy, "Nanoscale structure of cement : viewpoint of rigidity theory", J. Phys. Chem. C, 118, pp.12485~12493 (2014)
  65. G. Krivokoneva, "Structural changes in feldspars under impact of radiation", Crystal Chem. Struct. Feat. Miner, pp.75~79 (1976)
  66. Laurence A. J. Garvie, "Bonding in silicates; investigation of the Si L (sub 2,3) edge by parallel electron energy-loss spectroscopy", American Mineralogist, 84(5-6), pp.946~964 (1999), Mineralogical Society of America[DOI]

관련 논문AI추천

Effects of mineral composition of aggregates on volume expansion and elastic properties evolution caused by neutron irradiationHuang Ying, Liao Kaixing, Liu Hui, Zhang Weiping, Zhou Yong한국원자력학회 · Nuclear Engineering and Technology2024 · 제56권 제11호Molecular dynamics study on mechanical properties of C-S-H compositesDawang Li, Feng Xing, Peng Wei, Rui Han, Taoran Li, Wei Xie, Xianfeng Wang, Yonggang Peng, Zhen Chen청정에너지연구소 · Journal of Ceramic Processing Research2019 · 제20권 제1호Impacts of siltstone rocks on the ordinary concrete's physical, mechanical and gamma-ray shielding properties: An experimental examinationAita R.S., El Aassy I.E., El-Feky M.G., Ghany H.A. Abdel, Ibrahim E.M., Mahmoud K.A.한국원자력학회 · Nuclear Engineering and Technology2024 · 제56권 제6호Mechanical and elastic properties of vitrified radioactive wastes using ultrasonic techniqueAslani Mahmoud A.A., Erenturk Sema Akyil, Gur Filiz한국원자력학회 · Nuclear Engineering and Technology2024 · 제56권 제2호Beryllium oxide utilized in nuclear reactors: Part II: A systematic review of the neutron irradiation effectsHou Ming-dong, Liu Bing, Zhou Xiang-wen한국원자력학회 · Nuclear Engineering and Technology2023 · 제55권 제2호Gamma radiation effect on a murataite ceramic doped with Sr and CsAicha Maachou, Ali Sari, Badis Rahal, Dalila Moudir, Nour El Hayet Kamel, Salah Blizak, Soumia Kamariz, Yasmina Mouheb청정에너지연구소 · Journal of Ceramic Processing Research2024 · 제25권 제5호

이 간행물의 다른 논문 (39건)

New skeletal dose coefficients of the ICRP-110 reference phantoms for idealized external fields to photons and neutrons using dose response functions (DRFs)이유미, 신방호, 염연수, 이수민, 최현준, 최지원pp. 1949-1958Method for clearance of contaminated buildings in Korea research reactor 1 and 2강민영, 송정호, 임준혁, 이준희, 김광표, 황두성, 김근호pp. 1959-1965A GPU-based point kernel gamma dose rate computing code for virtual simulation in radiation-controlled areaZou Bowen, Xu Zhihui, Li Mengkun, Yang Mingpp. 1966-1973Boundary condition coupling methods and its application to BOP-integrated transient simulation of SMART양종인, 이용재, 김태진, 최성수, 손홍현, 신도영pp. 1974-1987Effect of silica fume content in concrete blocks on laser-induced explosive spalling behavior오승용, 박현민, 임권, 남성모, 최병선, 김택수pp. 1988-1993
원문 보기